4-bromo-N-(3-fluorophenyl)-3-methylbenzenesulfonamide

C13H11BrFNO2S — CID 7938634

IUPAC4-bromo-N-(3-fluorophenyl)-3-methylbenzenesulfonamide
SMILESCc1cc(S(=O)(=O)Nc2cccc(F)c2)ccc1Br
InChIInChI=1S/C13H11BrFNO2S/c1-9-7-12(5-6-13(9)14)19(17,18)16-11-4-2-3-10(15)8-11/h2-8,16H,1H3
InChIKeyFEMFDGNDNYQPBL-UHFFFAOYSA-N
MW344.21 g/mol
LogP3.70
Rot. Bonds3

About 4-bromo-N-(3-fluorophenyl)-3-methylbenzenesulfonamide

4-bromo-N-(3-fluorophenyl)-3-methylbenzenesulfonamide (PubChem CID 7938634) has the molecular formula C13H11BrFNO2S and a molecular weight of 344.21 g/mol. Its IUPAC name is 4-bromo-N-(3-fluorophenyl)-3-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-bromo-N-(3-fluorophenyl)-3-methylbenzenesulfonamide
PubChem CID7938634
Molecular FormulaC13H11BrFNO2S
Molecular Weight344.21 g/mol
Exact Mass342.97
IUPAC Name4-bromo-N-(3-fluorophenyl)-3-methylbenzenesulfonamide
SMILESCc1cc(S(=O)(=O)Nc2cccc(F)c2)ccc1Br
InChIInChI=1S/C13H11BrFNO2S/c1-9-7-12(5-6-13(9)14)19(17,18)16-11-4-2-3-10(15)8-11/h2-8,16H,1H3
InChIKeyFEMFDGNDNYQPBL-UHFFFAOYSA-N
XLogP3.70
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.21
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-N-(3,5-difluorophenyl)-3-methylbenzenesulfonamide
CID 35940070
4-bromo-3-fluoro-N-(3-fluorophenyl)benzenesulfonamide
CID 97161985
4-bromo-N-(3-iodophenyl)-3-methylbenzenesulfonamide
CID 60640765
4-bromo-N-(3-fluoro-4-methylphenyl)-3-methylbenzenesulfonamide
CID 7939142
4-bromo-N-(3-ethylphenyl)-3-methylbenzenesulfonamide
CID 60641368
3-[(4-bromo-3-methylphenyl)sulfonylamino]-N-methylbenzamide
CID 31580790
3-N-(3-fluorophenyl)-1-N-methylbenzene-1,3-disulfonamide
CID 49186407
4-bromo-N-(2,6-dichloro-4-fluorophenyl)-3-methylbenzenesulfonamide
CID 83078624
3-amino-4-bromo-N-(4-bromo-3-methylphenyl)benzenesulfonamide
CID 115328671
N-(3-fluorophenyl)-4-[4-(4-methylphenyl)sulfonylphenyl]benzenesulfonamide
CID 25037271
4-bromo-N-(4-tert-butylphenyl)-3-methylbenzenesulfonamide
CID 7938742
3-fluoro-N-(3-fluorophenyl)-4-nitrobenzenesulfonamide
CID 82813223

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(3-fluorophenyl)-3-methylbenzenesulfonamide?
The IUPAC name of 4-bromo-N-(3-fluorophenyl)-3-methylbenzenesulfonamide (CID 7938634) is 4-bromo-N-(3-fluorophenyl)-3-methylbenzenesulfonamide.
What is the SMILES notation for 4-bromo-N-(3-fluorophenyl)-3-methylbenzenesulfonamide?
The canonical SMILES for 4-bromo-N-(3-fluorophenyl)-3-methylbenzenesulfonamide is Cc1cc(S(=O)(=O)Nc2cccc(F)c2)ccc1Br.
What is the InChIKey of 4-bromo-N-(3-fluorophenyl)-3-methylbenzenesulfonamide?
The InChIKey is FEMFDGNDNYQPBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrFNO2S/c1-9-7-12(5-6-13(9)14)19(17,18)16-11-4-2-3-10(15)8-11/h2-8,16H,1H3.
What are the key properties of 4-bromo-N-(3-fluorophenyl)-3-methylbenzenesulfonamide?
4-bromo-N-(3-fluorophenyl)-3-methylbenzenesulfonamide has a molecular weight of 344.21 g/mol, XLogP of 3.70, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(3-fluorophenyl)-3-methylbenzenesulfonamide is sourced from PubChem (CID 7938634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).